Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTSHLIRIALPGALAAALLASQVSQAADLVPPPGYYAAVGERKGSAGSCPAVPPPYTGSLVFTSKYEGSDSARATLNVKAEKTFRSQIKDITDMERGATKLVTQYMRSGR--DGDLACALNWMSAWARAGALQ---SD---DF--NHTGKS------MRKWALGSLSGAYMRLKFSSSRPLAAHAEQSREIEDWFARLGTQVVRDWSGLPL--KKINNHSYWAA---WSVMSTAVV-------TNRRDLFDWAVSEFKVAANQVDEQGFLPNELKRRQRALAYHNYALPPLAMIAAFAQVNGVDLRQENHGALQRLAERVMKGVDDEETFEEKTGEDQDMTDLKVDNKYAWLEPYCALYRCEPKMLEAKKDREPFNSFRLGGEVTRVFSREGGS |
3K11 Chain:A ((208-371)) | --------------------------------------------------------------------------------------------------IPAVAQMSRYDKEAKNKYLAEAVKQFLQFA-DRMFIPEKGLYRHGWVESSTDHPAFCWARANGWALLTACELLDVLPED--------YPQRPKVMDYFRAHVRGVTALQSGEGFWHQLLDCNDSYLETSATAIYVYCLAHAINKGWIDAIAYGPVAQLGWHAVAGKINEEGQV---------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K11.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -50421 for 882 contacts (-57.2/contact) +
2D Compatibility (PS) -14325 + (NN) -6088 + (LL) 14192
1D Compatibility (HY) -2400 + (ID) 950
Total energy: -59992.0 ( -68.02 by residue)
QMean score : 0.403
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